USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 HIS : no HD1:sc= 0.226 K(o=0.16,f=-2.2!) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= -0.066 USER MOD Set 2.1: A 31 CYS SG : rot -108:sc= 2.7 USER MOD Set 2.2: A 40 HIS : no HE2:sc= -1.04! C(o=2!,f=-9.2!) USER MOD Set 2.3: A 56 CYS SG : rot 162:sc= 1.42 USER MOD Set 2.4: A 59 CYS SG : rot 7:sc= -2.34! USER MOD Set 2.5: A 63 TYR OH : rot -135:sc= 1.31 USER MOD Set 3.1: A 28 LYS NZ :NH3+ -119:sc= 0.0405 (180deg=-0.152) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= 0.0913 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.2 (180deg=0.631) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.792 K(o=0.79,f=0) USER MOD Single : A 11 SER OG : rot -43:sc= 0.865 USER MOD Single : A 14 MET CE :methyl -117:sc= -0.414 (180deg=-4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 62:sc= 1.26 USER MOD Single : A 25 SER OG : rot 57:sc= 1.23 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0811 X(o=-0.081,f=-0.0068) USER MOD Single : A 51 THR OG1 : rot 131:sc= -0.479 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HE2:sc= 1.16 K(o=1.2,f=-5.7!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0903 X(o=-0.09,f=-0.0096) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.73 K(o=-0.73,f=0.055) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.996 18.388 -8.661 1.00 0.00 N ATOM 2 CA MET A 1 27.472 17.823 -9.926 1.00 0.00 C ATOM 3 C MET A 1 25.950 17.943 -9.963 1.00 0.00 C ATOM 4 O MET A 1 25.403 18.829 -10.621 1.00 0.00 O ATOM 5 CB MET A 1 27.895 16.352 -10.088 1.00 0.00 C ATOM 6 CG MET A 1 29.396 16.143 -10.263 1.00 0.00 C ATOM 7 SD MET A 1 30.349 16.639 -8.816 1.00 0.00 S ATOM 8 CE MET A 1 32.011 16.259 -9.357 1.00 0.00 C ATOM 0 H1 MET A 1 28.929 17.975 -8.457 1.00 0.00 H new ATOM 0 H2 MET A 1 28.087 19.420 -8.753 1.00 0.00 H new ATOM 0 H3 MET A 1 27.341 18.166 -7.884 1.00 0.00 H new ATOM 0 HA MET A 1 27.893 18.391 -10.756 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.562 15.793 -9.214 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.379 15.931 -10.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.589 15.091 -10.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.738 16.711 -11.129 1.00 0.00 H new ATOM 0 HE1 MET A 1 32.718 16.512 -8.567 1.00 0.00 H new ATOM 0 HE2 MET A 1 32.086 15.195 -9.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 32.244 16.838 -10.251 1.00 0.00 H new ATOM 20 N ARG A 2 25.269 17.059 -9.242 1.00 0.00 N ATOM 21 CA ARG A 2 23.815 17.109 -9.147 1.00 0.00 C ATOM 22 C ARG A 2 23.400 17.411 -7.711 1.00 0.00 C ATOM 23 O ARG A 2 23.906 16.797 -6.767 1.00 0.00 O ATOM 24 CB ARG A 2 23.189 15.791 -9.627 1.00 0.00 C ATOM 25 CG ARG A 2 23.647 14.565 -8.852 1.00 0.00 C ATOM 26 CD ARG A 2 22.995 13.299 -9.378 1.00 0.00 C ATOM 27 NE ARG A 2 23.452 12.111 -8.656 1.00 0.00 N ATOM 28 CZ ARG A 2 23.314 10.861 -9.106 1.00 0.00 C ATOM 29 NH1 ARG A 2 22.687 10.626 -10.250 1.00 0.00 N ATOM 30 NH2 ARG A 2 23.787 9.839 -8.401 1.00 0.00 N ATOM 0 H ARG A 2 25.700 16.300 -8.715 1.00 0.00 H new ATOM 0 HA ARG A 2 23.450 17.906 -9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 2 22.104 15.869 -9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 2 23.428 15.651 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 2 24.731 14.473 -8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 2 23.405 14.689 -7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 2 21.912 13.384 -9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 2 23.220 13.188 -10.439 1.00 0.00 H new ATOM 0 HE ARG A 2 23.905 12.246 -7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 2 22.307 11.402 -10.792 1.00 0.00 H new ATOM 0 HH12 ARG A 2 22.585 9.669 -10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 2 24.258 10.007 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 2 23.679 8.886 -8.749 1.00 0.00 H new ATOM 44 N ARG A 3 22.509 18.375 -7.545 1.00 0.00 N ATOM 45 CA ARG A 3 22.052 18.777 -6.224 1.00 0.00 C ATOM 46 C ARG A 3 20.766 19.585 -6.340 1.00 0.00 C ATOM 47 O ARG A 3 20.777 20.686 -6.889 1.00 0.00 O ATOM 48 CB ARG A 3 23.134 19.596 -5.514 1.00 0.00 C ATOM 49 CG ARG A 3 22.790 19.941 -4.076 1.00 0.00 C ATOM 50 CD ARG A 3 23.929 20.675 -3.386 1.00 0.00 C ATOM 51 NE ARG A 3 23.618 20.963 -1.990 1.00 0.00 N ATOM 52 CZ ARG A 3 24.472 20.782 -0.983 1.00 0.00 C ATOM 53 NH1 ARG A 3 25.707 20.347 -1.221 1.00 0.00 N ATOM 54 NH2 ARG A 3 24.085 21.044 0.259 1.00 0.00 N ATOM 0 H ARG A 3 22.086 18.896 -8.313 1.00 0.00 H new ATOM 0 HA ARG A 3 21.852 17.883 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 3 24.070 19.038 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 3 23.303 20.518 -6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 3 21.893 20.559 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 3 22.561 19.027 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 3 24.836 20.073 -3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 3 24.134 21.607 -3.913 1.00 0.00 H new ATOM 0 HE ARG A 3 22.690 21.325 -1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 3 26.003 20.151 -2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 3 26.357 20.210 -0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 3 23.139 21.382 0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 3 24.733 20.908 1.035 1.00 0.00 H new ATOM 68 N GLN A 4 19.676 19.008 -5.825 1.00 0.00 N ATOM 69 CA GLN A 4 18.327 19.596 -5.884 1.00 0.00 C ATOM 70 C GLN A 4 18.037 20.303 -7.216 1.00 0.00 C ATOM 71 O GLN A 4 18.054 21.531 -7.308 1.00 0.00 O ATOM 72 CB GLN A 4 18.054 20.522 -4.684 1.00 0.00 C ATOM 73 CG GLN A 4 19.063 21.648 -4.485 1.00 0.00 C ATOM 74 CD GLN A 4 18.766 22.486 -3.255 1.00 0.00 C ATOM 75 OE1 GLN A 4 18.212 21.994 -2.271 1.00 0.00 O ATOM 76 NE2 GLN A 4 19.130 23.759 -3.300 1.00 0.00 N ATOM 0 H GLN A 4 19.702 18.107 -5.348 1.00 0.00 H new ATOM 0 HA GLN A 4 17.632 18.759 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 4 17.064 20.961 -4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.027 19.917 -3.778 1.00 0.00 H new ATOM 0 HG2 GLN A 4 20.063 21.224 -4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 4 19.064 22.290 -5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 4 19.587 24.130 -4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 4 18.954 24.368 -2.501 1.00 0.00 H new ATOM 85 N PRO A 5 17.774 19.520 -8.270 1.00 0.00 N ATOM 86 CA PRO A 5 17.443 20.053 -9.585 1.00 0.00 C ATOM 87 C PRO A 5 15.949 20.333 -9.734 1.00 0.00 C ATOM 88 O PRO A 5 15.191 20.253 -8.764 1.00 0.00 O ATOM 89 CB PRO A 5 17.868 18.922 -10.513 1.00 0.00 C ATOM 90 CG PRO A 5 17.628 17.676 -9.723 1.00 0.00 C ATOM 91 CD PRO A 5 17.785 18.044 -8.267 1.00 0.00 C ATOM 0 HA PRO A 5 17.930 21.007 -9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.286 18.925 -11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 5 18.916 19.015 -10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.630 17.282 -9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 5 18.338 16.898 -10.004 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.973 17.640 -7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 5 18.715 17.652 -7.854 1.00 0.00 H new ATOM 99 N LYS A 6 15.528 20.656 -10.949 1.00 0.00 N ATOM 100 CA LYS A 6 14.122 20.906 -11.229 1.00 0.00 C ATOM 101 C LYS A 6 13.619 19.936 -12.289 1.00 0.00 C ATOM 102 O LYS A 6 14.008 20.014 -13.456 1.00 0.00 O ATOM 103 CB LYS A 6 13.912 22.355 -11.675 1.00 0.00 C ATOM 104 CG LYS A 6 14.247 23.369 -10.591 1.00 0.00 C ATOM 105 CD LYS A 6 14.013 24.794 -11.065 1.00 0.00 C ATOM 106 CE LYS A 6 14.335 25.806 -9.975 1.00 0.00 C ATOM 107 NZ LYS A 6 14.128 27.202 -10.438 1.00 0.00 N ATOM 0 H LYS A 6 16.142 20.751 -11.758 1.00 0.00 H new ATOM 0 HA LYS A 6 13.549 20.748 -10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.529 22.552 -12.551 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.874 22.488 -11.980 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.637 23.174 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.288 23.251 -10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.630 24.993 -11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.974 24.909 -11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.707 25.615 -9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.369 25.679 -9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.358 27.861 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.746 27.393 -11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.135 27.331 -10.719 1.00 0.00 H new ATOM 121 N THR A 7 12.776 19.009 -11.863 1.00 0.00 N ATOM 122 CA THR A 7 12.254 17.978 -12.744 1.00 0.00 C ATOM 123 C THR A 7 11.316 18.572 -13.790 1.00 0.00 C ATOM 124 O THR A 7 10.460 19.404 -13.473 1.00 0.00 O ATOM 125 CB THR A 7 11.506 16.907 -11.930 1.00 0.00 C ATOM 126 OG1 THR A 7 12.285 16.549 -10.780 1.00 0.00 O ATOM 127 CG2 THR A 7 11.239 15.665 -12.767 1.00 0.00 C ATOM 0 H THR A 7 12.436 18.950 -10.903 1.00 0.00 H new ATOM 0 HA THR A 7 13.099 17.519 -13.256 1.00 0.00 H new ATOM 0 HB THR A 7 10.548 17.323 -11.619 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.808 15.868 -10.261 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.710 14.927 -12.164 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.630 15.932 -13.631 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.186 15.245 -13.106 1.00 0.00 H new ATOM 135 N ARG A 8 11.498 18.148 -15.038 1.00 0.00 N ATOM 136 CA ARG A 8 10.662 18.600 -16.146 1.00 0.00 C ATOM 137 C ARG A 8 9.191 18.282 -15.896 1.00 0.00 C ATOM 138 O ARG A 8 8.828 17.131 -15.657 1.00 0.00 O ATOM 139 CB ARG A 8 11.112 17.946 -17.455 1.00 0.00 C ATOM 140 CG ARG A 8 12.449 18.459 -17.969 1.00 0.00 C ATOM 141 CD ARG A 8 12.954 17.627 -19.135 1.00 0.00 C ATOM 142 NE ARG A 8 13.423 16.312 -18.703 1.00 0.00 N ATOM 143 CZ ARG A 8 13.289 15.193 -19.414 1.00 0.00 C ATOM 144 NH1 ARG A 8 12.647 15.198 -20.576 1.00 0.00 N ATOM 145 NH2 ARG A 8 13.799 14.060 -18.952 1.00 0.00 N ATOM 0 H ARG A 8 12.225 17.485 -15.308 1.00 0.00 H new ATOM 0 HA ARG A 8 10.774 19.681 -16.224 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.179 16.868 -17.308 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.351 18.117 -18.216 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.346 19.498 -18.280 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.182 18.439 -17.162 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.156 17.505 -19.867 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.766 18.156 -19.634 1.00 0.00 H new ATOM 0 HE ARG A 8 13.884 16.246 -17.796 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.249 16.066 -20.935 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.552 14.334 -21.110 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.290 14.049 -18.058 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.700 13.199 -19.491 1.00 0.00 H new ATOM 159 N GLN A 9 8.357 19.309 -15.948 1.00 0.00 N ATOM 160 CA GLN A 9 6.923 19.139 -15.761 1.00 0.00 C ATOM 161 C GLN A 9 6.236 18.933 -17.105 1.00 0.00 C ATOM 162 O GLN A 9 6.868 19.076 -18.154 1.00 0.00 O ATOM 163 CB GLN A 9 6.326 20.341 -15.029 1.00 0.00 C ATOM 164 CG GLN A 9 6.773 20.446 -13.575 1.00 0.00 C ATOM 165 CD GLN A 9 7.490 21.746 -13.274 1.00 0.00 C ATOM 166 OE1 GLN A 9 6.870 22.742 -12.910 1.00 0.00 O ATOM 167 NE2 GLN A 9 8.807 21.742 -13.411 1.00 0.00 N ATOM 0 H GLN A 9 8.649 20.271 -16.119 1.00 0.00 H new ATOM 0 HA GLN A 9 6.758 18.253 -15.148 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.607 21.254 -15.555 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.239 20.275 -15.063 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.903 20.357 -12.925 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.432 19.610 -13.341 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.285 20.894 -13.716 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.343 22.587 -13.212 1.00 0.00 H new ATOM 176 N GLU A 10 4.944 18.589 -17.066 1.00 0.00 N ATOM 177 CA GLU A 10 4.185 18.252 -18.275 1.00 0.00 C ATOM 178 C GLU A 10 4.831 17.078 -19.016 1.00 0.00 C ATOM 179 O GLU A 10 4.664 16.919 -20.226 1.00 0.00 O ATOM 180 CB GLU A 10 4.064 19.469 -19.200 1.00 0.00 C ATOM 181 CG GLU A 10 3.236 20.603 -18.614 1.00 0.00 C ATOM 182 CD GLU A 10 1.780 20.228 -18.411 1.00 0.00 C ATOM 183 OE1 GLU A 10 1.451 19.625 -17.366 1.00 0.00 O ATOM 184 OE2 GLU A 10 0.949 20.548 -19.284 1.00 0.00 O ATOM 0 H GLU A 10 4.400 18.537 -16.205 1.00 0.00 H new ATOM 0 HA GLU A 10 3.183 17.953 -17.969 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.063 19.841 -19.429 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.617 19.154 -20.143 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.665 20.903 -17.658 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.294 21.468 -19.275 1.00 0.00 H new ATOM 191 N SER A 11 5.553 16.249 -18.276 1.00 0.00 N ATOM 192 CA SER A 11 6.225 15.086 -18.848 1.00 0.00 C ATOM 193 C SER A 11 5.354 13.842 -18.692 1.00 0.00 C ATOM 194 O SER A 11 5.796 12.715 -18.925 1.00 0.00 O ATOM 195 CB SER A 11 7.590 14.884 -18.173 1.00 0.00 C ATOM 196 OG SER A 11 8.277 13.764 -18.708 1.00 0.00 O ATOM 0 H SER A 11 5.690 16.360 -17.271 1.00 0.00 H new ATOM 0 HA SER A 11 6.387 15.257 -19.912 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.197 15.780 -18.303 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.450 14.747 -17.101 1.00 0.00 H new ATOM 0 HG SER A 11 7.650 13.020 -18.823 1.00 0.00 H new ATOM 202 N ALA A 12 4.107 14.068 -18.317 1.00 0.00 N ATOM 203 CA ALA A 12 3.153 12.993 -18.107 1.00 0.00 C ATOM 204 C ALA A 12 1.743 13.480 -18.401 1.00 0.00 C ATOM 205 O ALA A 12 1.462 14.677 -18.304 1.00 0.00 O ATOM 206 CB ALA A 12 3.247 12.464 -16.682 1.00 0.00 C ATOM 0 H ALA A 12 3.728 15.000 -18.150 1.00 0.00 H new ATOM 0 HA ALA A 12 3.392 12.178 -18.790 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.525 11.659 -16.544 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.252 12.084 -16.501 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.031 13.269 -15.980 1.00 0.00 H new ATOM 212 N ARG A 13 0.866 12.561 -18.776 1.00 0.00 N ATOM 213 CA ARG A 13 -0.520 12.905 -19.053 1.00 0.00 C ATOM 214 C ARG A 13 -1.405 12.420 -17.915 1.00 0.00 C ATOM 215 O ARG A 13 -1.580 11.213 -17.721 1.00 0.00 O ATOM 216 CB ARG A 13 -0.970 12.281 -20.371 1.00 0.00 C ATOM 217 CG ARG A 13 -2.111 13.022 -21.054 1.00 0.00 C ATOM 218 CD ARG A 13 -2.541 12.317 -22.333 1.00 0.00 C ATOM 219 NE ARG A 13 -3.381 13.164 -23.184 1.00 0.00 N ATOM 220 CZ ARG A 13 -4.046 12.718 -24.247 1.00 0.00 C ATOM 221 NH1 ARG A 13 -4.034 11.426 -24.551 1.00 0.00 N ATOM 222 NH2 ARG A 13 -4.727 13.568 -25.002 1.00 0.00 N ATOM 0 H ARG A 13 1.089 11.573 -18.895 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.605 13.988 -19.137 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.119 12.241 -21.051 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.279 11.252 -20.186 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.959 13.095 -20.373 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.799 14.041 -21.285 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.656 12.011 -22.891 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.087 11.409 -22.078 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.461 14.153 -22.948 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.513 10.770 -23.969 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.545 11.089 -25.367 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.740 14.561 -24.768 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.238 13.230 -25.817 1.00 0.00 H new ATOM 236 N MET A 14 -1.949 13.360 -17.163 1.00 0.00 N ATOM 237 CA MET A 14 -2.741 13.046 -15.982 1.00 0.00 C ATOM 238 C MET A 14 -4.167 12.660 -16.365 1.00 0.00 C ATOM 239 O MET A 14 -5.121 13.386 -16.088 1.00 0.00 O ATOM 240 CB MET A 14 -2.743 14.240 -15.027 1.00 0.00 C ATOM 241 CG MET A 14 -3.266 13.928 -13.633 1.00 0.00 C ATOM 242 SD MET A 14 -3.152 15.346 -12.520 1.00 0.00 S ATOM 243 CE MET A 14 -3.683 14.609 -10.975 1.00 0.00 C ATOM 0 H MET A 14 -1.856 14.358 -17.350 1.00 0.00 H new ATOM 0 HA MET A 14 -2.290 12.191 -15.479 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.726 14.624 -14.943 1.00 0.00 H new ATOM 0 HB3 MET A 14 -3.350 15.035 -15.460 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.305 13.606 -13.702 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.701 13.095 -13.214 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.601 15.090 -10.639 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.864 13.544 -11.123 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.907 14.743 -10.222 1.00 0.00 H new ATOM 253 N SER A 15 -4.291 11.516 -17.023 1.00 0.00 N ATOM 254 CA SER A 15 -5.582 10.979 -17.420 1.00 0.00 C ATOM 255 C SER A 15 -5.445 9.482 -17.695 1.00 0.00 C ATOM 256 O SER A 15 -5.299 9.052 -18.839 1.00 0.00 O ATOM 257 CB SER A 15 -6.117 11.718 -18.654 1.00 0.00 C ATOM 258 OG SER A 15 -7.443 11.320 -18.967 1.00 0.00 O ATOM 0 H SER A 15 -3.498 10.935 -17.296 1.00 0.00 H new ATOM 0 HA SER A 15 -6.298 11.125 -16.611 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.092 12.793 -18.474 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.467 11.522 -19.507 1.00 0.00 H new ATOM 0 HG SER A 15 -7.754 11.810 -19.756 1.00 0.00 H new ATOM 264 N ILE A 16 -5.430 8.699 -16.622 1.00 0.00 N ATOM 265 CA ILE A 16 -5.271 7.255 -16.726 1.00 0.00 C ATOM 266 C ILE A 16 -6.169 6.580 -15.699 1.00 0.00 C ATOM 267 O ILE A 16 -6.570 7.207 -14.718 1.00 0.00 O ATOM 268 CB ILE A 16 -3.811 6.798 -16.470 1.00 0.00 C ATOM 269 CG1 ILE A 16 -2.809 7.919 -16.775 1.00 0.00 C ATOM 270 CG2 ILE A 16 -3.490 5.569 -17.305 1.00 0.00 C ATOM 271 CD1 ILE A 16 -1.374 7.562 -16.445 1.00 0.00 C ATOM 0 H ILE A 16 -5.527 9.043 -15.667 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.541 6.972 -17.743 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.722 6.547 -15.413 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.876 8.176 -17.832 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.091 8.809 -16.212 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.462 5.259 -17.116 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.169 4.759 -17.037 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.608 5.806 -18.362 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.725 8.403 -16.688 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.291 7.334 -15.382 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.073 6.691 -17.027 1.00 0.00 H new ATOM 283 N GLU A 17 -6.472 5.310 -15.910 1.00 0.00 N ATOM 284 CA GLU A 17 -7.323 4.573 -14.990 1.00 0.00 C ATOM 285 C GLU A 17 -6.800 3.149 -14.809 1.00 0.00 C ATOM 286 O GLU A 17 -5.948 2.690 -15.576 1.00 0.00 O ATOM 287 CB GLU A 17 -8.766 4.561 -15.503 1.00 0.00 C ATOM 288 CG GLU A 17 -9.787 4.123 -14.464 1.00 0.00 C ATOM 289 CD GLU A 17 -11.210 4.247 -14.961 1.00 0.00 C ATOM 290 OE1 GLU A 17 -11.694 5.386 -15.107 1.00 0.00 O ATOM 291 OE2 GLU A 17 -11.849 3.209 -15.219 1.00 0.00 O ATOM 0 H GLU A 17 -6.142 4.768 -16.709 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.306 5.068 -14.019 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.025 5.560 -15.853 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.830 3.895 -16.364 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.593 3.088 -14.183 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.666 4.726 -13.564 1.00 0.00 H new ATOM 298 N ALA A 18 -7.284 2.471 -13.780 1.00 0.00 N ATOM 299 CA ALA A 18 -6.881 1.103 -13.494 1.00 0.00 C ATOM 300 C ALA A 18 -7.978 0.388 -12.712 1.00 0.00 C ATOM 301 O ALA A 18 -8.451 0.904 -11.700 1.00 0.00 O ATOM 302 CB ALA A 18 -5.571 1.075 -12.717 1.00 0.00 C ATOM 0 H ALA A 18 -7.964 2.852 -13.122 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.725 0.584 -14.440 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.290 0.041 -12.515 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.789 1.555 -13.305 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.696 1.608 -11.774 1.00 0.00 H new ATOM 308 N PRO A 19 -8.406 -0.793 -13.187 1.00 0.00 N ATOM 309 CA PRO A 19 -9.455 -1.584 -12.530 1.00 0.00 C ATOM 310 C PRO A 19 -9.078 -1.979 -11.102 1.00 0.00 C ATOM 311 O PRO A 19 -7.924 -2.331 -10.828 1.00 0.00 O ATOM 312 CB PRO A 19 -9.586 -2.826 -13.422 1.00 0.00 C ATOM 313 CG PRO A 19 -9.000 -2.424 -14.731 1.00 0.00 C ATOM 314 CD PRO A 19 -7.908 -1.449 -14.404 1.00 0.00 C ATOM 0 HA PRO A 19 -10.384 -1.023 -12.430 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.053 -3.676 -12.996 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.628 -3.125 -13.531 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.606 -3.288 -15.266 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.753 -1.968 -15.374 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.956 -1.952 -14.231 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.749 -0.735 -15.212 1.00 0.00 H new ATOM 322 N GLU A 20 -10.064 -1.923 -10.205 1.00 0.00 N ATOM 323 CA GLU A 20 -9.849 -2.178 -8.780 1.00 0.00 C ATOM 324 C GLU A 20 -8.842 -1.195 -8.202 1.00 0.00 C ATOM 325 O GLU A 20 -7.872 -1.588 -7.549 1.00 0.00 O ATOM 326 CB GLU A 20 -9.385 -3.616 -8.528 1.00 0.00 C ATOM 327 CG GLU A 20 -10.464 -4.659 -8.753 1.00 0.00 C ATOM 328 CD GLU A 20 -9.977 -6.067 -8.486 1.00 0.00 C ATOM 329 OE1 GLU A 20 -9.833 -6.441 -7.300 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.738 -6.809 -9.462 1.00 0.00 O ATOM 0 H GLU A 20 -11.030 -1.701 -10.445 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.806 -2.039 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.540 -3.835 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.024 -3.696 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.313 -4.443 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.822 -4.591 -9.780 1.00 0.00 H new ATOM 337 N THR A 21 -9.076 0.080 -8.451 1.00 0.00 N ATOM 338 CA THR A 21 -8.236 1.121 -7.901 1.00 0.00 C ATOM 339 C THR A 21 -8.784 1.543 -6.541 1.00 0.00 C ATOM 340 O THR A 21 -9.999 1.570 -6.333 1.00 0.00 O ATOM 341 CB THR A 21 -8.132 2.344 -8.850 1.00 0.00 C ATOM 342 OG1 THR A 21 -7.145 3.263 -8.366 1.00 0.00 O ATOM 343 CG2 THR A 21 -9.474 3.055 -9.002 1.00 0.00 C ATOM 0 H THR A 21 -9.843 0.418 -9.032 1.00 0.00 H new ATOM 0 HA THR A 21 -7.228 0.723 -7.785 1.00 0.00 H new ATOM 0 HB THR A 21 -7.835 1.976 -9.832 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.269 2.824 -8.351 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.361 3.906 -9.674 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.208 2.362 -9.414 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.813 3.405 -8.027 1.00 0.00 H new ATOM 351 N VAL A 22 -7.894 1.838 -5.609 1.00 0.00 N ATOM 352 CA VAL A 22 -8.299 2.167 -4.251 1.00 0.00 C ATOM 353 C VAL A 22 -8.001 3.629 -3.943 1.00 0.00 C ATOM 354 O VAL A 22 -6.872 4.096 -4.137 1.00 0.00 O ATOM 355 CB VAL A 22 -7.587 1.268 -3.214 1.00 0.00 C ATOM 356 CG1 VAL A 22 -8.076 1.577 -1.804 1.00 0.00 C ATOM 357 CG2 VAL A 22 -7.796 -0.209 -3.541 1.00 0.00 C ATOM 0 H VAL A 22 -6.886 1.857 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.373 1.992 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.519 1.481 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.562 0.933 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.867 2.620 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.150 1.399 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.286 -0.822 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.862 -0.437 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.390 -0.424 -4.529 1.00 0.00 H new ATOM 367 N VAL A 23 -9.018 4.343 -3.479 1.00 0.00 N ATOM 368 CA VAL A 23 -8.858 5.723 -3.063 1.00 0.00 C ATOM 369 C VAL A 23 -8.450 5.765 -1.597 1.00 0.00 C ATOM 370 O VAL A 23 -9.184 5.304 -0.716 1.00 0.00 O ATOM 371 CB VAL A 23 -10.150 6.542 -3.267 1.00 0.00 C ATOM 372 CG1 VAL A 23 -9.926 7.999 -2.898 1.00 0.00 C ATOM 373 CG2 VAL A 23 -10.645 6.411 -4.704 1.00 0.00 C ATOM 0 H VAL A 23 -9.967 3.983 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.083 6.172 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.919 6.143 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.849 8.559 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.627 8.068 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.141 8.417 -3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.557 6.995 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.880 6.781 -5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.852 5.364 -4.923 1.00 0.00 H new ATOM 383 N VAL A 24 -7.277 6.314 -1.343 1.00 0.00 N ATOM 384 CA VAL A 24 -6.686 6.281 -0.017 1.00 0.00 C ATOM 385 C VAL A 24 -6.485 7.685 0.525 1.00 0.00 C ATOM 386 O VAL A 24 -6.395 8.652 -0.232 1.00 0.00 O ATOM 387 CB VAL A 24 -5.337 5.528 -0.005 1.00 0.00 C ATOM 388 CG1 VAL A 24 -5.551 4.050 -0.288 1.00 0.00 C ATOM 389 CG2 VAL A 24 -4.369 6.142 -1.007 1.00 0.00 C ATOM 0 H VAL A 24 -6.710 6.792 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.385 5.744 0.624 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.897 5.623 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.591 3.534 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.201 3.624 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.015 3.930 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.425 5.597 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.796 6.083 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.192 7.186 -0.749 1.00 0.00 H new ATOM 399 N SER A 25 -6.431 7.782 1.838 1.00 0.00 N ATOM 400 CA SER A 25 -6.173 9.040 2.505 1.00 0.00 C ATOM 401 C SER A 25 -4.745 9.028 3.049 1.00 0.00 C ATOM 402 O SER A 25 -4.255 10.016 3.602 1.00 0.00 O ATOM 403 CB SER A 25 -7.187 9.232 3.636 1.00 0.00 C ATOM 404 OG SER A 25 -7.074 10.510 4.228 1.00 0.00 O ATOM 0 H SER A 25 -6.564 6.993 2.470 1.00 0.00 H new ATOM 0 HA SER A 25 -6.277 9.870 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.196 9.099 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.035 8.465 4.395 1.00 0.00 H new ATOM 0 HG SER A 25 -7.189 11.200 3.541 1.00 0.00 H new ATOM 410 N THR A 26 -4.086 7.892 2.864 1.00 0.00 N ATOM 411 CA THR A 26 -2.741 7.682 3.364 1.00 0.00 C ATOM 412 C THR A 26 -1.745 7.693 2.207 1.00 0.00 C ATOM 413 O THR A 26 -1.990 7.079 1.169 1.00 0.00 O ATOM 414 CB THR A 26 -2.656 6.332 4.106 1.00 0.00 C ATOM 415 OG1 THR A 26 -3.793 6.183 4.968 1.00 0.00 O ATOM 416 CG2 THR A 26 -1.383 6.238 4.930 1.00 0.00 C ATOM 0 H THR A 26 -4.472 7.092 2.362 1.00 0.00 H new ATOM 0 HA THR A 26 -2.496 8.487 4.056 1.00 0.00 H new ATOM 0 HB THR A 26 -2.645 5.535 3.362 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.738 5.324 5.437 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.351 5.276 5.441 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.517 6.329 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.366 7.041 5.667 1.00 0.00 H new ATOM 424 N TRP A 27 -0.633 8.398 2.383 1.00 0.00 N ATOM 425 CA TRP A 27 0.385 8.489 1.345 1.00 0.00 C ATOM 426 C TRP A 27 1.267 7.244 1.335 1.00 0.00 C ATOM 427 O TRP A 27 1.719 6.799 0.280 1.00 0.00 O ATOM 428 CB TRP A 27 1.240 9.739 1.547 1.00 0.00 C ATOM 429 CG TRP A 27 0.484 11.016 1.342 1.00 0.00 C ATOM 430 CD1 TRP A 27 -0.018 11.834 2.310 1.00 0.00 C ATOM 431 CD2 TRP A 27 0.138 11.616 0.088 1.00 0.00 C ATOM 432 NE1 TRP A 27 -0.646 12.912 1.734 1.00 0.00 N ATOM 433 CE2 TRP A 27 -0.568 12.798 0.371 1.00 0.00 C ATOM 434 CE3 TRP A 27 0.358 11.269 -1.245 1.00 0.00 C ATOM 435 CZ2 TRP A 27 -1.055 13.635 -0.633 1.00 0.00 C ATOM 436 CZ3 TRP A 27 -0.126 12.097 -2.241 1.00 0.00 C ATOM 437 CH2 TRP A 27 -0.825 13.270 -1.931 1.00 0.00 C ATOM 0 H TRP A 27 -0.414 8.915 3.235 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.120 8.558 0.381 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.654 9.728 2.555 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.083 9.709 0.856 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.066 11.660 3.373 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.097 13.674 2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.898 10.368 -1.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.595 14.539 -0.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 0.038 11.835 -3.276 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -1.189 13.898 -2.731 1.00 0.00 H new ATOM 448 N LYS A 28 1.522 6.690 2.512 1.00 0.00 N ATOM 449 CA LYS A 28 2.290 5.456 2.615 1.00 0.00 C ATOM 450 C LYS A 28 1.348 4.268 2.726 1.00 0.00 C ATOM 451 O LYS A 28 0.734 4.046 3.769 1.00 0.00 O ATOM 452 CB LYS A 28 3.241 5.493 3.816 1.00 0.00 C ATOM 453 CG LYS A 28 4.331 6.550 3.702 1.00 0.00 C ATOM 454 CD LYS A 28 5.341 6.428 4.831 1.00 0.00 C ATOM 455 CE LYS A 28 6.096 5.108 4.767 1.00 0.00 C ATOM 456 NZ LYS A 28 6.937 5.004 3.544 1.00 0.00 N ATOM 0 H LYS A 28 1.211 7.072 3.405 1.00 0.00 H new ATOM 0 HA LYS A 28 2.894 5.353 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.662 5.677 4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.707 4.514 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.840 6.448 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.881 7.543 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.049 7.255 4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.828 6.508 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.727 5.008 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.385 4.282 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.622 4.193 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.846 5.876 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.931 4.870 3.817 1.00 0.00 H new ATOM 470 N VAL A 29 1.232 3.513 1.646 1.00 0.00 N ATOM 471 CA VAL A 29 0.275 2.427 1.588 1.00 0.00 C ATOM 472 C VAL A 29 0.960 1.073 1.705 1.00 0.00 C ATOM 473 O VAL A 29 2.029 0.846 1.130 1.00 0.00 O ATOM 474 CB VAL A 29 -0.556 2.477 0.286 1.00 0.00 C ATOM 475 CG1 VAL A 29 -1.482 3.684 0.290 1.00 0.00 C ATOM 476 CG2 VAL A 29 0.350 2.506 -0.938 1.00 0.00 C ATOM 0 H VAL A 29 1.789 3.634 0.800 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.396 2.553 2.438 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.163 1.573 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.059 3.703 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.161 3.619 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.890 4.596 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.259 2.541 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.989 3.388 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.970 1.610 -0.953 1.00 0.00 H new ATOM 486 N ALA A 30 0.347 0.189 2.474 1.00 0.00 N ATOM 487 CA ALA A 30 0.820 -1.176 2.596 1.00 0.00 C ATOM 488 C ALA A 30 0.168 -2.038 1.532 1.00 0.00 C ATOM 489 O ALA A 30 -1.006 -2.393 1.641 1.00 0.00 O ATOM 490 CB ALA A 30 0.518 -1.730 3.977 1.00 0.00 C ATOM 0 H ALA A 30 -0.485 0.396 3.026 1.00 0.00 H new ATOM 0 HA ALA A 30 1.901 -1.185 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.882 -2.755 4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.013 -1.118 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.558 -1.715 4.148 1.00 0.00 H new ATOM 496 N CYS A 31 0.918 -2.351 0.494 1.00 0.00 N ATOM 497 CA CYS A 31 0.382 -3.103 -0.623 1.00 0.00 C ATOM 498 C CYS A 31 0.847 -4.545 -0.563 1.00 0.00 C ATOM 499 O CYS A 31 1.998 -4.829 -0.227 1.00 0.00 O ATOM 500 CB CYS A 31 0.790 -2.460 -1.949 1.00 0.00 C ATOM 501 SG CYS A 31 -0.017 -3.172 -3.406 1.00 0.00 S ATOM 0 H CYS A 31 1.901 -2.096 0.401 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.706 -3.090 -0.557 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.563 -1.395 -1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.870 -2.551 -2.066 1.00 0.00 H new ATOM 0 HG CYS A 31 0.847 -3.867 -4.084 1.00 0.00 H new ATOM 507 N ASP A 32 -0.066 -5.442 -0.882 1.00 0.00 N ATOM 508 CA ASP A 32 0.194 -6.879 -0.844 1.00 0.00 C ATOM 509 C ASP A 32 -0.382 -7.510 -2.110 1.00 0.00 C ATOM 510 O ASP A 32 -0.616 -8.713 -2.193 1.00 0.00 O ATOM 511 CB ASP A 32 -0.457 -7.478 0.413 1.00 0.00 C ATOM 512 CG ASP A 32 0.011 -8.887 0.733 1.00 0.00 C ATOM 513 OD1 ASP A 32 1.129 -9.038 1.271 1.00 0.00 O ATOM 514 OD2 ASP A 32 -0.758 -9.843 0.501 1.00 0.00 O ATOM 0 H ASP A 32 -1.012 -5.200 -1.176 1.00 0.00 H new ATOM 0 HA ASP A 32 1.265 -7.077 -0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.243 -6.832 1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.539 -7.485 0.282 1.00 0.00 H new ATOM 519 N GLY A 33 -0.595 -6.666 -3.112 1.00 0.00 N ATOM 520 CA GLY A 33 -1.279 -7.094 -4.312 1.00 0.00 C ATOM 521 C GLY A 33 -2.752 -7.295 -4.050 1.00 0.00 C ATOM 522 O GLY A 33 -3.477 -6.332 -3.786 1.00 0.00 O ATOM 0 H GLY A 33 -0.304 -5.688 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.143 -6.350 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.840 -8.024 -4.674 1.00 0.00 H new ATOM 526 N GLY A 34 -3.195 -8.538 -4.112 1.00 0.00 N ATOM 527 CA GLY A 34 -4.562 -8.861 -3.762 1.00 0.00 C ATOM 528 C GLY A 34 -4.619 -9.727 -2.539 1.00 0.00 C ATOM 529 O GLY A 34 -5.438 -9.525 -1.641 1.00 0.00 O ATOM 0 H GLY A 34 -2.629 -9.336 -4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.122 -7.942 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.042 -9.373 -4.596 1.00 0.00 H new ATOM 533 N GLU A 35 -3.705 -10.662 -2.523 1.00 0.00 N ATOM 534 CA GLU A 35 -3.550 -11.641 -1.455 1.00 0.00 C ATOM 535 C GLU A 35 -2.128 -12.176 -1.486 1.00 0.00 C ATOM 536 O GLU A 35 -1.391 -11.906 -2.437 1.00 0.00 O ATOM 537 CB GLU A 35 -4.538 -12.797 -1.637 1.00 0.00 C ATOM 538 CG GLU A 35 -5.887 -12.587 -0.964 1.00 0.00 C ATOM 539 CD GLU A 35 -5.875 -12.962 0.507 1.00 0.00 C ATOM 540 OE1 GLU A 35 -6.077 -14.158 0.817 1.00 0.00 O ATOM 541 OE2 GLU A 35 -5.674 -12.075 1.360 1.00 0.00 O ATOM 0 H GLU A 35 -3.022 -10.775 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.752 -11.163 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.699 -12.956 -2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.088 -13.708 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.180 -11.542 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.642 -13.181 -1.480 1.00 0.00 H new ATOM 548 N GLY A 36 -1.750 -12.935 -0.467 1.00 0.00 N ATOM 549 CA GLY A 36 -0.430 -13.535 -0.445 1.00 0.00 C ATOM 550 C GLY A 36 -0.163 -14.374 -1.681 1.00 0.00 C ATOM 551 O GLY A 36 -0.951 -15.261 -2.010 1.00 0.00 O ATOM 0 H GLY A 36 -2.332 -13.146 0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.323 -12.750 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.330 -14.158 0.444 1.00 0.00 H new ATOM 555 N ALA A 37 0.929 -14.054 -2.378 1.00 0.00 N ATOM 556 CA ALA A 37 1.326 -14.728 -3.623 1.00 0.00 C ATOM 557 C ALA A 37 0.456 -14.299 -4.807 1.00 0.00 C ATOM 558 O ALA A 37 0.766 -14.604 -5.959 1.00 0.00 O ATOM 559 CB ALA A 37 1.324 -16.246 -3.470 1.00 0.00 C ATOM 0 H ALA A 37 1.571 -13.314 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 37 2.349 -14.416 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.623 -16.707 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.025 -16.534 -2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.323 -16.583 -3.203 1.00 0.00 H new ATOM 565 N LEU A 38 -0.624 -13.584 -4.522 1.00 0.00 N ATOM 566 CA LEU A 38 -1.489 -13.047 -5.563 1.00 0.00 C ATOM 567 C LEU A 38 -1.172 -11.573 -5.753 1.00 0.00 C ATOM 568 O LEU A 38 -1.899 -10.698 -5.276 1.00 0.00 O ATOM 569 CB LEU A 38 -2.968 -13.230 -5.204 1.00 0.00 C ATOM 570 CG LEU A 38 -3.415 -14.678 -4.995 1.00 0.00 C ATOM 571 CD1 LEU A 38 -4.899 -14.739 -4.662 1.00 0.00 C ATOM 572 CD2 LEU A 38 -3.106 -15.517 -6.228 1.00 0.00 C ATOM 0 H LEU A 38 -0.923 -13.362 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.306 -13.589 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.176 -12.668 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.574 -12.790 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.859 -15.090 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.197 -15.777 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.090 -14.176 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.474 -14.308 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.431 -16.544 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.633 -15.106 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.033 -15.503 -6.418 1.00 0.00 H new ATOM 584 N GLY A 39 -0.069 -11.312 -6.432 1.00 0.00 N ATOM 585 CA GLY A 39 0.435 -9.965 -6.540 1.00 0.00 C ATOM 586 C GLY A 39 1.898 -9.901 -6.204 1.00 0.00 C ATOM 587 O GLY A 39 2.751 -10.323 -6.982 1.00 0.00 O ATOM 0 H GLY A 39 0.490 -12.016 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.276 -9.595 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.123 -9.311 -5.870 1.00 0.00 H new ATOM 591 N HIS A 40 2.173 -9.386 -5.037 1.00 0.00 N ATOM 592 CA HIS A 40 3.529 -9.298 -4.521 1.00 0.00 C ATOM 593 C HIS A 40 3.503 -9.317 -2.996 1.00 0.00 C ATOM 594 O HIS A 40 2.450 -9.115 -2.400 1.00 0.00 O ATOM 595 CB HIS A 40 4.215 -8.022 -5.032 1.00 0.00 C ATOM 596 CG HIS A 40 3.525 -6.754 -4.630 1.00 0.00 C ATOM 597 ND1 HIS A 40 3.729 -6.116 -3.429 1.00 0.00 N ATOM 598 CD2 HIS A 40 2.622 -6.000 -5.304 1.00 0.00 C ATOM 599 CE1 HIS A 40 2.968 -5.021 -3.410 1.00 0.00 C ATOM 600 NE2 HIS A 40 2.276 -4.902 -4.525 1.00 0.00 N ATOM 0 H HIS A 40 1.464 -9.011 -4.407 1.00 0.00 H new ATOM 0 HA HIS A 40 4.100 -10.157 -4.875 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.239 -7.999 -4.660 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.271 -8.063 -6.120 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.353 -6.426 -2.684 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.234 -6.218 -6.288 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.925 -4.322 -2.587 1.00 0.00 H new ATOM 608 N PRO A 41 4.651 -9.581 -2.347 1.00 0.00 N ATOM 609 CA PRO A 41 4.761 -9.528 -0.886 1.00 0.00 C ATOM 610 C PRO A 41 4.441 -8.136 -0.344 1.00 0.00 C ATOM 611 O PRO A 41 4.569 -7.141 -1.060 1.00 0.00 O ATOM 612 CB PRO A 41 6.229 -9.883 -0.613 1.00 0.00 C ATOM 613 CG PRO A 41 6.696 -10.577 -1.845 1.00 0.00 C ATOM 614 CD PRO A 41 5.920 -9.970 -2.978 1.00 0.00 C ATOM 0 HA PRO A 41 4.057 -10.203 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.821 -8.989 -0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.323 -10.527 0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.768 -10.440 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.518 -11.650 -1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.437 -9.111 -3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.765 -10.683 -3.787 1.00 0.00 H new ATOM 622 N ARG A 42 4.035 -8.076 0.918 1.00 0.00 N ATOM 623 CA ARG A 42 3.654 -6.818 1.557 1.00 0.00 C ATOM 624 C ARG A 42 4.784 -5.787 1.506 1.00 0.00 C ATOM 625 O ARG A 42 5.844 -5.971 2.113 1.00 0.00 O ATOM 626 CB ARG A 42 3.251 -7.066 3.012 1.00 0.00 C ATOM 627 CG ARG A 42 2.980 -5.791 3.798 1.00 0.00 C ATOM 628 CD ARG A 42 3.805 -5.748 5.073 1.00 0.00 C ATOM 629 NE ARG A 42 5.233 -5.933 4.805 1.00 0.00 N ATOM 630 CZ ARG A 42 6.143 -6.204 5.738 1.00 0.00 C ATOM 631 NH1 ARG A 42 5.804 -6.243 7.020 1.00 0.00 N ATOM 632 NH2 ARG A 42 7.404 -6.417 5.382 1.00 0.00 N ATOM 0 H ARG A 42 3.960 -8.891 1.526 1.00 0.00 H new ATOM 0 HA ARG A 42 2.806 -6.415 1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.358 -7.691 3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.043 -7.627 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.213 -4.923 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.920 -5.731 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.650 -4.792 5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.460 -6.525 5.755 1.00 0.00 H new ATOM 0 HE ARG A 42 5.551 -5.849 3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.839 -6.064 7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.508 -6.452 7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.671 -6.373 4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.106 -6.625 6.092 1.00 0.00 H new ATOM 646 N VAL A 43 4.536 -4.703 0.789 1.00 0.00 N ATOM 647 CA VAL A 43 5.478 -3.595 0.705 1.00 0.00 C ATOM 648 C VAL A 43 4.813 -2.325 1.213 1.00 0.00 C ATOM 649 O VAL A 43 3.588 -2.207 1.190 1.00 0.00 O ATOM 650 CB VAL A 43 5.963 -3.345 -0.742 1.00 0.00 C ATOM 651 CG1 VAL A 43 7.148 -2.397 -0.769 1.00 0.00 C ATOM 652 CG2 VAL A 43 6.311 -4.646 -1.446 1.00 0.00 C ATOM 0 H VAL A 43 3.681 -4.565 0.251 1.00 0.00 H new ATOM 0 HA VAL A 43 6.342 -3.860 1.315 1.00 0.00 H new ATOM 0 HB VAL A 43 5.138 -2.879 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.466 -2.241 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.860 -1.442 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.970 -2.826 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.648 -4.432 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.105 -5.154 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.430 -5.286 -1.484 1.00 0.00 H new ATOM 662 N TRP A 44 5.619 -1.390 1.672 1.00 0.00 N ATOM 663 CA TRP A 44 5.136 -0.106 2.122 1.00 0.00 C ATOM 664 C TRP A 44 5.568 0.971 1.138 1.00 0.00 C ATOM 665 O TRP A 44 6.730 1.378 1.119 1.00 0.00 O ATOM 666 CB TRP A 44 5.674 0.193 3.516 1.00 0.00 C ATOM 667 CG TRP A 44 4.933 -0.523 4.603 1.00 0.00 C ATOM 668 CD1 TRP A 44 5.202 -1.762 5.111 1.00 0.00 C ATOM 669 CD2 TRP A 44 3.790 -0.036 5.311 1.00 0.00 C ATOM 670 NE1 TRP A 44 4.293 -2.073 6.099 1.00 0.00 N ATOM 671 CE2 TRP A 44 3.414 -1.027 6.237 1.00 0.00 C ATOM 672 CE3 TRP A 44 3.049 1.145 5.244 1.00 0.00 C ATOM 673 CZ2 TRP A 44 2.328 -0.867 7.096 1.00 0.00 C ATOM 674 CZ3 TRP A 44 1.971 1.304 6.096 1.00 0.00 C ATOM 675 CH2 TRP A 44 1.619 0.302 7.010 1.00 0.00 C ATOM 0 H TRP A 44 6.630 -1.502 1.743 1.00 0.00 H new ATOM 0 HA TRP A 44 4.047 -0.123 2.171 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.727 -0.086 3.559 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.621 1.267 3.696 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.008 -2.403 4.786 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.276 -2.938 6.639 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.313 1.920 4.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.056 -1.636 7.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.392 2.215 6.056 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.771 0.455 7.661 1.00 0.00 H new ATOM 686 N LEU A 45 4.633 1.415 0.313 1.00 0.00 N ATOM 687 CA LEU A 45 4.936 2.350 -0.754 1.00 0.00 C ATOM 688 C LEU A 45 4.737 3.784 -0.287 1.00 0.00 C ATOM 689 O LEU A 45 4.228 4.028 0.806 1.00 0.00 O ATOM 690 CB LEU A 45 4.048 2.066 -1.966 1.00 0.00 C ATOM 691 CG LEU A 45 4.210 0.677 -2.588 1.00 0.00 C ATOM 692 CD1 LEU A 45 3.211 0.483 -3.717 1.00 0.00 C ATOM 693 CD2 LEU A 45 5.627 0.483 -3.101 1.00 0.00 C ATOM 0 H LEU A 45 3.652 1.139 0.364 1.00 0.00 H new ATOM 0 HA LEU A 45 5.981 2.222 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.007 2.194 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.256 2.814 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 45 4.016 -0.069 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.339 -0.509 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.198 0.581 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.379 1.238 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.722 -0.510 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.846 1.236 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.330 0.584 -2.274 1.00 0.00 H new ATOM 705 N SER A 46 5.139 4.726 -1.124 1.00 0.00 N ATOM 706 CA SER A 46 4.980 6.136 -0.822 1.00 0.00 C ATOM 707 C SER A 46 4.465 6.870 -2.054 1.00 0.00 C ATOM 708 O SER A 46 5.181 7.008 -3.046 1.00 0.00 O ATOM 709 CB SER A 46 6.313 6.735 -0.361 1.00 0.00 C ATOM 710 OG SER A 46 6.846 6.017 0.747 1.00 0.00 O ATOM 0 H SER A 46 5.581 4.536 -2.024 1.00 0.00 H new ATOM 0 HA SER A 46 4.256 6.248 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.026 6.718 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.169 7.780 -0.085 1.00 0.00 H new ATOM 0 HG SER A 46 7.697 6.420 1.019 1.00 0.00 H new ATOM 716 N ILE A 47 3.213 7.301 -1.995 1.00 0.00 N ATOM 717 CA ILE A 47 2.593 8.011 -3.103 1.00 0.00 C ATOM 718 C ILE A 47 3.160 9.422 -3.224 1.00 0.00 C ATOM 719 O ILE A 47 3.199 10.170 -2.244 1.00 0.00 O ATOM 720 CB ILE A 47 1.057 8.087 -2.934 1.00 0.00 C ATOM 721 CG1 ILE A 47 0.468 6.679 -2.804 1.00 0.00 C ATOM 722 CG2 ILE A 47 0.423 8.821 -4.108 1.00 0.00 C ATOM 723 CD1 ILE A 47 -1.029 6.662 -2.569 1.00 0.00 C ATOM 0 H ILE A 47 2.605 7.170 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 47 2.817 7.453 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 47 0.837 8.644 -2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.690 6.117 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.962 6.163 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.657 8.864 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.822 9.834 -4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.650 8.292 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.373 5.631 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.259 7.195 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.534 7.148 -3.404 1.00 0.00 H new ATOM 735 N PRO A 48 3.631 9.796 -4.426 1.00 0.00 N ATOM 736 CA PRO A 48 4.149 11.139 -4.685 1.00 0.00 C ATOM 737 C PRO A 48 3.103 12.214 -4.400 1.00 0.00 C ATOM 738 O PRO A 48 1.952 12.121 -4.838 1.00 0.00 O ATOM 739 CB PRO A 48 4.516 11.111 -6.173 1.00 0.00 C ATOM 740 CG PRO A 48 4.684 9.667 -6.499 1.00 0.00 C ATOM 741 CD PRO A 48 3.714 8.937 -5.618 1.00 0.00 C ATOM 0 HA PRO A 48 4.995 11.385 -4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.734 11.565 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.433 11.669 -6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.477 9.477 -7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.707 9.340 -6.311 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.743 8.820 -6.099 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.069 7.937 -5.370 1.00 0.00 H new ATOM 749 N HIS A 49 3.510 13.237 -3.671 1.00 0.00 N ATOM 750 CA HIS A 49 2.585 14.277 -3.237 1.00 0.00 C ATOM 751 C HIS A 49 2.323 15.258 -4.368 1.00 0.00 C ATOM 752 O HIS A 49 1.342 16.003 -4.347 1.00 0.00 O ATOM 753 CB HIS A 49 3.137 15.027 -2.021 1.00 0.00 C ATOM 754 CG HIS A 49 3.343 14.173 -0.808 1.00 0.00 C ATOM 755 ND1 HIS A 49 2.656 14.355 0.373 1.00 0.00 N ATOM 756 CD2 HIS A 49 4.196 13.147 -0.587 1.00 0.00 C ATOM 757 CE1 HIS A 49 3.081 13.480 1.263 1.00 0.00 C ATOM 758 NE2 HIS A 49 4.016 12.731 0.707 1.00 0.00 N ATOM 0 H HIS A 49 4.474 13.373 -3.365 1.00 0.00 H new ATOM 0 HA HIS A 49 1.648 13.797 -2.955 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.088 15.486 -2.293 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.453 15.837 -1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.892 12.731 -1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.724 13.391 2.278 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.520 11.971 1.164 1.00 0.00 H new ATOM 767 N GLU A 50 3.206 15.249 -5.354 1.00 0.00 N ATOM 768 CA GLU A 50 3.094 16.146 -6.495 1.00 0.00 C ATOM 769 C GLU A 50 2.337 15.487 -7.649 1.00 0.00 C ATOM 770 O GLU A 50 2.253 16.043 -8.748 1.00 0.00 O ATOM 771 CB GLU A 50 4.482 16.613 -6.960 1.00 0.00 C ATOM 772 CG GLU A 50 5.499 15.496 -7.165 1.00 0.00 C ATOM 773 CD GLU A 50 6.160 15.049 -5.873 1.00 0.00 C ATOM 774 OE1 GLU A 50 7.185 15.648 -5.488 1.00 0.00 O ATOM 775 OE2 GLU A 50 5.660 14.098 -5.240 1.00 0.00 O ATOM 0 H GLU A 50 4.013 14.626 -5.387 1.00 0.00 H new ATOM 0 HA GLU A 50 2.524 17.018 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.371 17.160 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.878 17.315 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.004 14.642 -7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.267 15.835 -7.861 1.00 0.00 H new ATOM 782 N THR A 51 1.792 14.303 -7.408 1.00 0.00 N ATOM 783 CA THR A 51 0.983 13.632 -8.416 1.00 0.00 C ATOM 784 C THR A 51 -0.446 13.413 -7.920 1.00 0.00 C ATOM 785 O THR A 51 -1.407 13.861 -8.549 1.00 0.00 O ATOM 786 CB THR A 51 1.596 12.282 -8.843 1.00 0.00 C ATOM 787 OG1 THR A 51 1.762 11.430 -7.707 1.00 0.00 O ATOM 788 CG2 THR A 51 2.937 12.484 -9.533 1.00 0.00 C ATOM 0 H THR A 51 1.894 13.791 -6.532 1.00 0.00 H new ATOM 0 HA THR A 51 0.962 14.288 -9.286 1.00 0.00 H new ATOM 0 HB THR A 51 0.911 11.812 -9.548 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.394 10.544 -7.906 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.346 11.516 -9.823 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.800 13.101 -10.421 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.627 12.979 -8.850 1.00 0.00 H new ATOM 796 N GLY A 52 -0.579 12.737 -6.785 1.00 0.00 N ATOM 797 CA GLY A 52 -1.892 12.449 -6.237 1.00 0.00 C ATOM 798 C GLY A 52 -2.325 11.025 -6.527 1.00 0.00 C ATOM 799 O GLY A 52 -3.417 10.602 -6.147 1.00 0.00 O ATOM 0 H GLY A 52 0.201 12.382 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.880 12.613 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.621 13.143 -6.656 1.00 0.00 H new ATOM 803 N PHE A 53 -1.458 10.288 -7.209 1.00 0.00 N ATOM 804 CA PHE A 53 -1.710 8.892 -7.543 1.00 0.00 C ATOM 805 C PHE A 53 -0.418 8.247 -8.023 1.00 0.00 C ATOM 806 O PHE A 53 0.539 8.952 -8.362 1.00 0.00 O ATOM 807 CB PHE A 53 -2.802 8.762 -8.621 1.00 0.00 C ATOM 808 CG PHE A 53 -2.432 9.335 -9.961 1.00 0.00 C ATOM 809 CD1 PHE A 53 -2.576 10.688 -10.218 1.00 0.00 C ATOM 810 CD2 PHE A 53 -1.943 8.514 -10.964 1.00 0.00 C ATOM 811 CE1 PHE A 53 -2.242 11.213 -11.450 1.00 0.00 C ATOM 812 CE2 PHE A 53 -1.605 9.033 -12.195 1.00 0.00 C ATOM 813 CZ PHE A 53 -1.755 10.383 -12.440 1.00 0.00 C ATOM 0 H PHE A 53 -0.562 10.640 -7.546 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.066 8.381 -6.649 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.046 7.707 -8.747 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.705 9.258 -8.266 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.954 11.340 -9.445 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.825 7.456 -10.779 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.361 12.270 -11.639 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.223 8.383 -12.968 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.492 10.790 -13.405 1.00 0.00 H new ATOM 823 N VAL A 54 -0.385 6.922 -8.046 1.00 0.00 N ATOM 824 CA VAL A 54 0.796 6.201 -8.500 1.00 0.00 C ATOM 825 C VAL A 54 0.469 4.730 -8.746 1.00 0.00 C ATOM 826 O VAL A 54 -0.388 4.151 -8.068 1.00 0.00 O ATOM 827 CB VAL A 54 1.958 6.324 -7.478 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.620 5.617 -6.172 1.00 0.00 C ATOM 829 CG2 VAL A 54 3.263 5.796 -8.054 1.00 0.00 C ATOM 0 H VAL A 54 -1.160 6.326 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 54 1.117 6.652 -9.439 1.00 0.00 H new ATOM 0 HB VAL A 54 2.092 7.384 -7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.453 5.720 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.726 6.064 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.439 4.560 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.055 5.897 -7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.145 4.745 -8.318 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.525 6.367 -8.945 1.00 0.00 H new ATOM 839 N GLU A 55 1.114 4.146 -9.746 1.00 0.00 N ATOM 840 CA GLU A 55 1.003 2.718 -9.987 1.00 0.00 C ATOM 841 C GLU A 55 1.880 1.973 -8.994 1.00 0.00 C ATOM 842 O GLU A 55 2.810 2.548 -8.431 1.00 0.00 O ATOM 843 CB GLU A 55 1.435 2.349 -11.412 1.00 0.00 C ATOM 844 CG GLU A 55 0.616 3.001 -12.515 1.00 0.00 C ATOM 845 CD GLU A 55 0.992 4.448 -12.762 1.00 0.00 C ATOM 846 OE1 GLU A 55 1.968 4.698 -13.496 1.00 0.00 O ATOM 847 OE2 GLU A 55 0.303 5.345 -12.234 1.00 0.00 O ATOM 0 H GLU A 55 1.719 4.640 -10.402 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.043 2.436 -9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.481 2.626 -11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.376 1.267 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.746 2.436 -13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.441 2.946 -12.254 1.00 0.00 H new ATOM 854 N CYS A 56 1.588 0.705 -8.770 1.00 0.00 N ATOM 855 CA CYS A 56 2.429 -0.104 -7.911 1.00 0.00 C ATOM 856 C CYS A 56 3.728 -0.442 -8.634 1.00 0.00 C ATOM 857 O CYS A 56 3.721 -0.751 -9.825 1.00 0.00 O ATOM 858 CB CYS A 56 1.704 -1.383 -7.483 1.00 0.00 C ATOM 859 SG CYS A 56 2.694 -2.475 -6.435 1.00 0.00 S ATOM 0 H CYS A 56 0.784 0.218 -9.166 1.00 0.00 H new ATOM 0 HA CYS A 56 2.660 0.466 -7.011 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.794 -1.111 -6.949 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.399 -1.931 -8.374 1.00 0.00 H new ATOM 0 HG CYS A 56 1.912 -3.312 -5.820 1.00 0.00 H new ATOM 865 N GLY A 57 4.841 -0.370 -7.919 1.00 0.00 N ATOM 866 CA GLY A 57 6.122 -0.670 -8.522 1.00 0.00 C ATOM 867 C GLY A 57 6.303 -2.155 -8.767 1.00 0.00 C ATOM 868 O GLY A 57 7.224 -2.569 -9.465 1.00 0.00 O ATOM 0 H GLY A 57 4.880 -0.110 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.212 -0.134 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.921 -0.310 -7.873 1.00 0.00 H new ATOM 872 N TYR A 58 5.421 -2.958 -8.185 1.00 0.00 N ATOM 873 CA TYR A 58 5.503 -4.397 -8.305 1.00 0.00 C ATOM 874 C TYR A 58 4.365 -4.962 -9.156 1.00 0.00 C ATOM 875 O TYR A 58 4.499 -6.040 -9.735 1.00 0.00 O ATOM 876 CB TYR A 58 5.465 -5.025 -6.920 1.00 0.00 C ATOM 877 CG TYR A 58 6.755 -4.889 -6.137 1.00 0.00 C ATOM 878 CD1 TYR A 58 7.090 -3.693 -5.511 1.00 0.00 C ATOM 879 CD2 TYR A 58 7.631 -5.960 -6.025 1.00 0.00 C ATOM 880 CE1 TYR A 58 8.268 -3.568 -4.798 1.00 0.00 C ATOM 881 CE2 TYR A 58 8.810 -5.844 -5.313 1.00 0.00 C ATOM 882 CZ TYR A 58 9.123 -4.648 -4.702 1.00 0.00 C ATOM 883 OH TYR A 58 10.296 -4.529 -3.994 1.00 0.00 O ATOM 0 H TYR A 58 4.637 -2.628 -7.622 1.00 0.00 H new ATOM 0 HA TYR A 58 6.442 -4.639 -8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.657 -4.568 -6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.225 -6.083 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.420 -2.849 -5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.388 -6.898 -6.501 1.00 0.00 H new ATOM 0 HE1 TYR A 58 8.518 -2.632 -4.320 1.00 0.00 H new ATOM 0 HE2 TYR A 58 9.483 -6.686 -5.236 1.00 0.00 H new ATOM 0 HH TYR A 58 10.783 -5.379 -4.023 1.00 0.00 H new ATOM 893 N CYS A 59 3.250 -4.243 -9.228 1.00 0.00 N ATOM 894 CA CYS A 59 2.083 -4.728 -9.958 1.00 0.00 C ATOM 895 C CYS A 59 1.407 -3.622 -10.762 1.00 0.00 C ATOM 896 O CYS A 59 1.625 -2.436 -10.526 1.00 0.00 O ATOM 897 CB CYS A 59 1.078 -5.372 -9.003 1.00 0.00 C ATOM 898 SG CYS A 59 1.638 -6.944 -8.308 1.00 0.00 S ATOM 0 H CYS A 59 3.129 -3.328 -8.793 1.00 0.00 H new ATOM 0 HA CYS A 59 2.438 -5.479 -10.664 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.869 -4.679 -8.188 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.139 -5.533 -9.533 1.00 0.00 H new ATOM 0 HG CYS A 59 2.876 -7.151 -8.646 1.00 0.00 H new ATOM 904 N ASP A 60 0.581 -4.050 -11.709 1.00 0.00 N ATOM 905 CA ASP A 60 -0.095 -3.172 -12.662 1.00 0.00 C ATOM 906 C ASP A 60 -1.066 -2.182 -12.004 1.00 0.00 C ATOM 907 O ASP A 60 -1.240 -1.063 -12.488 1.00 0.00 O ATOM 908 CB ASP A 60 -0.834 -4.050 -13.680 1.00 0.00 C ATOM 909 CG ASP A 60 -1.955 -3.339 -14.411 1.00 0.00 C ATOM 910 OD1 ASP A 60 -1.666 -2.557 -15.340 1.00 0.00 O ATOM 911 OD2 ASP A 60 -3.133 -3.602 -14.077 1.00 0.00 O ATOM 0 H ASP A 60 0.357 -5.036 -11.840 1.00 0.00 H new ATOM 0 HA ASP A 60 0.663 -2.558 -13.147 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.117 -4.422 -14.411 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.244 -4.919 -13.165 1.00 0.00 H new ATOM 916 N ARG A 61 -1.680 -2.588 -10.897 1.00 0.00 N ATOM 917 CA ARG A 61 -2.741 -1.799 -10.277 1.00 0.00 C ATOM 918 C ARG A 61 -2.227 -0.462 -9.737 1.00 0.00 C ATOM 919 O ARG A 61 -1.072 -0.337 -9.324 1.00 0.00 O ATOM 920 CB ARG A 61 -3.418 -2.606 -9.168 1.00 0.00 C ATOM 921 CG ARG A 61 -4.001 -3.913 -9.664 1.00 0.00 C ATOM 922 CD ARG A 61 -4.926 -4.554 -8.641 1.00 0.00 C ATOM 923 NE ARG A 61 -5.386 -5.872 -9.079 1.00 0.00 N ATOM 924 CZ ARG A 61 -6.415 -6.074 -9.910 1.00 0.00 C ATOM 925 NH1 ARG A 61 -7.112 -5.046 -10.387 1.00 0.00 N ATOM 926 NH2 ARG A 61 -6.749 -7.311 -10.263 1.00 0.00 N ATOM 0 H ARG A 61 -1.462 -3.458 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.474 -1.569 -11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.693 -2.813 -8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.211 -2.006 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.551 -3.736 -10.588 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.191 -4.603 -9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.405 -4.648 -7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.786 -3.906 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.890 -6.691 -8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.864 -4.094 -10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.895 -5.210 -11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.221 -8.105 -9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.533 -7.466 -10.896 1.00 0.00 H new ATOM 940 N ARG A 62 -3.113 0.528 -9.738 1.00 0.00 N ATOM 941 CA ARG A 62 -2.767 1.894 -9.356 1.00 0.00 C ATOM 942 C ARG A 62 -3.600 2.353 -8.161 1.00 0.00 C ATOM 943 O ARG A 62 -4.766 1.979 -8.028 1.00 0.00 O ATOM 944 CB ARG A 62 -3.001 2.828 -10.550 1.00 0.00 C ATOM 945 CG ARG A 62 -2.856 4.313 -10.233 1.00 0.00 C ATOM 946 CD ARG A 62 -3.208 5.175 -11.437 1.00 0.00 C ATOM 947 NE ARG A 62 -2.274 4.970 -12.543 1.00 0.00 N ATOM 948 CZ ARG A 62 -2.614 4.488 -13.738 1.00 0.00 C ATOM 949 NH1 ARG A 62 -3.869 4.125 -13.975 1.00 0.00 N ATOM 950 NH2 ARG A 62 -1.693 4.361 -14.687 1.00 0.00 N ATOM 0 H ARG A 62 -4.090 0.407 -10.003 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.717 1.923 -9.067 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.297 2.568 -11.341 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.002 2.650 -10.943 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.504 4.573 -9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.833 4.522 -9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.220 4.942 -11.768 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.202 6.225 -11.146 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.295 5.212 -12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.573 4.215 -13.242 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.129 3.756 -14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.728 4.632 -14.500 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.951 3.992 -15.602 1.00 0.00 H new ATOM 964 N TYR A 63 -3.001 3.166 -7.305 1.00 0.00 N ATOM 965 CA TYR A 63 -3.695 3.704 -6.145 1.00 0.00 C ATOM 966 C TYR A 63 -3.899 5.201 -6.302 1.00 0.00 C ATOM 967 O TYR A 63 -3.079 5.883 -6.923 1.00 0.00 O ATOM 968 CB TYR A 63 -2.928 3.389 -4.860 1.00 0.00 C ATOM 969 CG TYR A 63 -2.894 1.913 -4.545 1.00 0.00 C ATOM 970 CD1 TYR A 63 -3.940 1.311 -3.861 1.00 0.00 C ATOM 971 CD2 TYR A 63 -1.825 1.122 -4.942 1.00 0.00 C ATOM 972 CE1 TYR A 63 -3.924 -0.041 -3.581 1.00 0.00 C ATOM 973 CE2 TYR A 63 -1.802 -0.232 -4.669 1.00 0.00 C ATOM 974 CZ TYR A 63 -2.853 -0.807 -3.984 1.00 0.00 C ATOM 975 OH TYR A 63 -2.838 -2.157 -3.717 1.00 0.00 O ATOM 0 H TYR A 63 -2.031 3.469 -7.392 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.674 3.229 -6.075 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.907 3.760 -4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.387 3.923 -4.028 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.781 1.910 -3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.999 1.572 -5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.747 -0.495 -3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.967 -0.837 -4.990 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.957 -2.413 -3.373 1.00 0.00 H new ATOM 985 N ILE A 64 -4.999 5.702 -5.752 1.00 0.00 N ATOM 986 CA ILE A 64 -5.390 7.094 -5.932 1.00 0.00 C ATOM 987 C ILE A 64 -5.611 7.779 -4.586 1.00 0.00 C ATOM 988 O ILE A 64 -6.196 7.202 -3.673 1.00 0.00 O ATOM 989 CB ILE A 64 -6.682 7.194 -6.778 1.00 0.00 C ATOM 990 CG1 ILE A 64 -6.433 6.654 -8.191 1.00 0.00 C ATOM 991 CG2 ILE A 64 -7.190 8.627 -6.833 1.00 0.00 C ATOM 992 CD1 ILE A 64 -7.649 6.699 -9.092 1.00 0.00 C ATOM 0 H ILE A 64 -5.640 5.159 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.578 7.599 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.451 6.586 -6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.631 7.230 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.085 5.623 -8.119 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.099 8.668 -7.434 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.407 8.975 -5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.429 9.266 -7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.390 6.300 -10.073 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.448 6.099 -8.655 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.986 7.730 -9.197 1.00 0.00 H new ATOM 1004 N HIS A 65 -5.127 9.007 -4.466 1.00 0.00 N ATOM 1005 CA HIS A 65 -5.313 9.789 -3.252 1.00 0.00 C ATOM 1006 C HIS A 65 -6.677 10.492 -3.271 1.00 0.00 C ATOM 1007 O HIS A 65 -7.172 10.877 -4.332 1.00 0.00 O ATOM 1008 CB HIS A 65 -4.172 10.807 -3.111 1.00 0.00 C ATOM 1009 CG HIS A 65 -4.280 11.701 -1.913 1.00 0.00 C ATOM 1010 ND1 HIS A 65 -4.633 13.019 -2.046 1.00 0.00 N ATOM 1011 CD2 HIS A 65 -4.062 11.431 -0.601 1.00 0.00 C ATOM 1012 CE1 HIS A 65 -4.624 13.523 -0.826 1.00 0.00 C ATOM 1013 NE2 HIS A 65 -4.282 12.600 0.084 1.00 0.00 N ATOM 0 H HIS A 65 -4.601 9.485 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.292 9.122 -2.390 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.226 10.268 -3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.141 11.425 -4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.772 10.481 -0.178 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.862 14.550 -0.591 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.201 12.739 1.091 1.00 0.00 H new ATOM 1021 N GLU A 66 -7.272 10.642 -2.086 1.00 0.00 N ATOM 1022 CA GLU A 66 -8.587 11.265 -1.913 1.00 0.00 C ATOM 1023 C GLU A 66 -8.754 12.559 -2.718 1.00 0.00 C ATOM 1024 O GLU A 66 -9.811 12.802 -3.299 1.00 0.00 O ATOM 1025 CB GLU A 66 -8.813 11.564 -0.430 1.00 0.00 C ATOM 1026 CG GLU A 66 -7.735 12.450 0.173 1.00 0.00 C ATOM 1027 CD GLU A 66 -8.097 12.987 1.540 1.00 0.00 C ATOM 1028 OE1 GLU A 66 -8.719 14.064 1.616 1.00 0.00 O ATOM 1029 OE2 GLU A 66 -7.739 12.348 2.553 1.00 0.00 O ATOM 0 H GLU A 66 -6.851 10.332 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.325 10.557 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.782 12.047 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.853 10.625 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.807 11.882 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.544 13.286 -0.499 1.00 0.00 H new ATOM 1036 N SER A 67 -7.709 13.379 -2.772 1.00 0.00 N ATOM 1037 CA SER A 67 -7.815 14.702 -3.370 1.00 0.00 C ATOM 1038 C SER A 67 -7.844 14.652 -4.900 1.00 0.00 C ATOM 1039 O SER A 67 -8.013 15.680 -5.558 1.00 0.00 O ATOM 1040 CB SER A 67 -6.667 15.583 -2.879 1.00 0.00 C ATOM 1041 OG SER A 67 -6.689 15.690 -1.465 1.00 0.00 O ATOM 0 H SER A 67 -6.783 13.150 -2.410 1.00 0.00 H new ATOM 0 HA SER A 67 -8.765 15.133 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.715 15.162 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.746 16.574 -3.325 1.00 0.00 H new ATOM 0 HG SER A 67 -5.946 16.256 -1.168 1.00 0.00 H new ATOM 1047 N PHE A 68 -7.688 13.463 -5.468 1.00 0.00 N ATOM 1048 CA PHE A 68 -7.805 13.301 -6.909 1.00 0.00 C ATOM 1049 C PHE A 68 -9.227 12.912 -7.280 1.00 0.00 C ATOM 1050 O PHE A 68 -9.719 13.261 -8.355 1.00 0.00 O ATOM 1051 CB PHE A 68 -6.817 12.247 -7.421 1.00 0.00 C ATOM 1052 CG PHE A 68 -6.907 12.004 -8.905 1.00 0.00 C ATOM 1053 CD1 PHE A 68 -6.521 12.982 -9.805 1.00 0.00 C ATOM 1054 CD2 PHE A 68 -7.381 10.798 -9.395 1.00 0.00 C ATOM 1055 CE1 PHE A 68 -6.607 12.763 -11.168 1.00 0.00 C ATOM 1056 CE2 PHE A 68 -7.469 10.572 -10.756 1.00 0.00 C ATOM 1057 CZ PHE A 68 -7.083 11.556 -11.643 1.00 0.00 C ATOM 0 H PHE A 68 -7.482 12.604 -4.957 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.564 14.254 -7.381 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.803 12.562 -7.174 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.996 11.308 -6.896 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.148 13.927 -9.439 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.686 10.025 -8.705 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.303 13.534 -11.860 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.839 9.627 -11.124 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.153 11.383 -12.707 1.00 0.00 H new ATOM 1067 N ALA A 69 -9.897 12.233 -6.362 1.00 0.00 N ATOM 1068 CA ALA A 69 -11.223 11.695 -6.624 1.00 0.00 C ATOM 1069 C ALA A 69 -11.955 11.413 -5.322 1.00 0.00 C ATOM 1070 O ALA A 69 -11.882 10.311 -4.778 1.00 0.00 O ATOM 1071 CB ALA A 69 -11.130 10.430 -7.473 1.00 0.00 C ATOM 0 H ALA A 69 -9.543 12.041 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.791 12.441 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.132 10.042 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.650 10.664 -8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.542 9.679 -6.944 1.00 0.00 H new ATOM 1077 N ALA A 70 -12.638 12.422 -4.816 1.00 0.00 N ATOM 1078 CA ALA A 70 -13.412 12.287 -3.590 1.00 0.00 C ATOM 1079 C ALA A 70 -14.862 11.943 -3.908 1.00 0.00 C ATOM 1080 O ALA A 70 -15.532 11.258 -3.137 1.00 0.00 O ATOM 1081 CB ALA A 70 -13.335 13.572 -2.777 1.00 0.00 C ATOM 0 H ALA A 70 -12.674 13.351 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.990 11.474 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.917 13.459 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.296 13.780 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.737 14.398 -3.364 1.00 0.00 H new ATOM 1087 N ALA A 71 -15.329 12.428 -5.059 1.00 0.00 N ATOM 1088 CA ALA A 71 -16.706 12.220 -5.514 1.00 0.00 C ATOM 1089 C ALA A 71 -17.716 12.816 -4.533 1.00 0.00 C ATOM 1090 O ALA A 71 -18.019 14.007 -4.609 1.00 0.00 O ATOM 1091 CB ALA A 71 -16.989 10.742 -5.762 1.00 0.00 C ATOM 0 H ALA A 71 -14.762 12.978 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.819 12.745 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.019 10.620 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -16.310 10.365 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -16.841 10.183 -4.838 1.00 0.00 H new ATOM 1097 N LYS A 72 -18.221 11.991 -3.618 1.00 0.00 N ATOM 1098 CA LYS A 72 -19.184 12.428 -2.610 1.00 0.00 C ATOM 1099 C LYS A 72 -19.011 11.603 -1.342 1.00 0.00 C ATOM 1100 O LYS A 72 -18.532 10.468 -1.394 1.00 0.00 O ATOM 1101 CB LYS A 72 -20.632 12.290 -3.112 1.00 0.00 C ATOM 1102 CG LYS A 72 -21.012 13.262 -4.220 1.00 0.00 C ATOM 1103 CD LYS A 72 -22.505 13.214 -4.512 1.00 0.00 C ATOM 1104 CE LYS A 72 -22.880 14.136 -5.661 1.00 0.00 C ATOM 1105 NZ LYS A 72 -24.348 14.172 -5.890 1.00 0.00 N ATOM 0 H LYS A 72 -17.975 11.003 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 72 -18.994 13.481 -2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -20.783 11.272 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -21.310 12.435 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -20.728 14.274 -3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -20.455 13.021 -5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -22.796 12.192 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -23.060 13.500 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -22.521 15.143 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -22.379 13.804 -6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -24.560 14.812 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -24.687 13.216 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -24.825 14.513 -5.031 1.00 0.00 H new ATOM 1119 N LEU A 73 -19.396 12.171 -0.205 1.00 0.00 N ATOM 1120 CA LEU A 73 -19.303 11.464 1.066 1.00 0.00 C ATOM 1121 C LEU A 73 -20.548 10.621 1.292 1.00 0.00 C ATOM 1122 O LEU A 73 -21.582 10.839 0.657 1.00 0.00 O ATOM 1123 CB LEU A 73 -19.108 12.452 2.223 1.00 0.00 C ATOM 1124 CG LEU A 73 -17.801 13.249 2.185 1.00 0.00 C ATOM 1125 CD1 LEU A 73 -17.716 14.175 3.385 1.00 0.00 C ATOM 1126 CD2 LEU A 73 -16.603 12.309 2.156 1.00 0.00 C ATOM 0 H LEU A 73 -19.774 13.116 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.436 10.804 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.943 13.153 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.152 11.901 3.162 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.789 13.851 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.782 14.736 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.557 14.868 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.748 13.586 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.683 12.893 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -16.610 11.683 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.658 11.677 1.270 1.00 0.00 H new ATOM 1138 N GLU A 74 -20.449 9.657 2.192 1.00 0.00 N ATOM 1139 CA GLU A 74 -21.565 8.771 2.472 1.00 0.00 C ATOM 1140 C GLU A 74 -22.468 9.365 3.546 1.00 0.00 C ATOM 1141 O GLU A 74 -22.206 9.215 4.743 1.00 0.00 O ATOM 1142 CB GLU A 74 -21.061 7.384 2.891 1.00 0.00 C ATOM 1143 CG GLU A 74 -22.176 6.378 3.109 1.00 0.00 C ATOM 1144 CD GLU A 74 -23.152 6.362 1.955 1.00 0.00 C ATOM 1145 OE1 GLU A 74 -22.846 5.755 0.915 1.00 0.00 O ATOM 1146 OE2 GLU A 74 -24.228 6.976 2.076 1.00 0.00 O ATOM 0 H GLU A 74 -19.609 9.469 2.740 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.151 8.660 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.384 7.005 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.482 7.478 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.748 5.384 3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.707 6.618 4.030 1.00 0.00 H new ATOM 1153 N HIS A 75 -23.520 10.055 3.097 1.00 0.00 N ATOM 1154 CA HIS A 75 -24.500 10.689 3.988 1.00 0.00 C ATOM 1155 C HIS A 75 -23.886 11.841 4.784 1.00 0.00 C ATOM 1156 O HIS A 75 -22.668 11.944 4.935 1.00 0.00 O ATOM 1157 CB HIS A 75 -25.126 9.671 4.953 1.00 0.00 C ATOM 1158 CG HIS A 75 -26.291 8.915 4.386 1.00 0.00 C ATOM 1159 ND1 HIS A 75 -26.154 7.847 3.527 1.00 0.00 N ATOM 1160 CD2 HIS A 75 -27.624 9.065 4.581 1.00 0.00 C ATOM 1161 CE1 HIS A 75 -27.344 7.373 3.219 1.00 0.00 C ATOM 1162 NE2 HIS A 75 -28.253 8.091 3.845 1.00 0.00 N ATOM 0 H HIS A 75 -23.718 10.191 2.106 1.00 0.00 H new ATOM 0 HA HIS A 75 -25.283 11.093 3.346 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -24.360 8.958 5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -25.451 10.194 5.853 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -25.267 7.479 3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -28.102 9.811 5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -27.541 6.537 2.564 1.00 0.00 H new ATOM 1171 N HIS A 76 -24.740 12.718 5.278 1.00 0.00 N ATOM 1172 CA HIS A 76 -24.298 13.815 6.128 1.00 0.00 C ATOM 1173 C HIS A 76 -24.248 13.356 7.579 1.00 0.00 C ATOM 1174 O HIS A 76 -25.270 12.988 8.158 1.00 0.00 O ATOM 1175 CB HIS A 76 -25.222 15.028 5.984 1.00 0.00 C ATOM 1176 CG HIS A 76 -25.243 15.613 4.602 1.00 0.00 C ATOM 1177 ND1 HIS A 76 -26.256 16.424 4.145 1.00 0.00 N ATOM 1178 CD2 HIS A 76 -24.364 15.500 3.576 1.00 0.00 C ATOM 1179 CE1 HIS A 76 -26.004 16.782 2.900 1.00 0.00 C ATOM 1180 NE2 HIS A 76 -24.862 16.237 2.529 1.00 0.00 N ATOM 0 H HIS A 76 -25.745 12.695 5.107 1.00 0.00 H new ATOM 0 HA HIS A 76 -23.299 14.115 5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.235 14.736 6.260 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -24.909 15.798 6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -23.443 14.935 3.581 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -26.629 17.415 2.288 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -24.421 16.345 1.616 1.00 0.00 H new ATOM 1189 N HIS A 77 -23.056 13.362 8.155 1.00 0.00 N ATOM 1190 CA HIS A 77 -22.858 12.898 9.522 1.00 0.00 C ATOM 1191 C HIS A 77 -22.161 13.961 10.356 1.00 0.00 C ATOM 1192 O HIS A 77 -21.795 15.025 9.849 1.00 0.00 O ATOM 1193 CB HIS A 77 -22.033 11.605 9.548 1.00 0.00 C ATOM 1194 CG HIS A 77 -22.734 10.422 8.959 1.00 0.00 C ATOM 1195 ND1 HIS A 77 -22.177 9.635 7.976 1.00 0.00 N ATOM 1196 CD2 HIS A 77 -23.945 9.879 9.230 1.00 0.00 C ATOM 1197 CE1 HIS A 77 -23.011 8.660 7.669 1.00 0.00 C ATOM 1198 NE2 HIS A 77 -24.092 8.783 8.414 1.00 0.00 N ATOM 0 H HIS A 77 -22.205 13.685 7.695 1.00 0.00 H new ATOM 0 HA HIS A 77 -23.841 12.698 9.948 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -21.102 11.770 9.005 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.765 11.378 10.580 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -24.662 10.240 9.953 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -22.838 7.890 6.931 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -24.904 8.166 8.389 1.00 0.00 H new ATOM 1207 N HIS A 78 -21.980 13.661 11.633 1.00 0.00 N ATOM 1208 CA HIS A 78 -21.282 14.551 12.547 1.00 0.00 C ATOM 1209 C HIS A 78 -19.835 14.100 12.697 1.00 0.00 C ATOM 1210 O HIS A 78 -19.520 12.924 12.496 1.00 0.00 O ATOM 1211 CB HIS A 78 -21.952 14.549 13.928 1.00 0.00 C ATOM 1212 CG HIS A 78 -23.378 15.005 13.926 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -24.425 14.195 14.305 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -23.926 16.202 13.614 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -25.553 14.871 14.223 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -25.279 16.091 13.808 1.00 0.00 N ATOM 0 H HIS A 78 -22.311 12.798 12.063 1.00 0.00 H new ATOM 0 HA HIS A 78 -21.319 15.560 12.137 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -21.907 13.540 14.338 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -21.379 15.191 14.597 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -23.397 17.081 13.275 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -26.536 14.489 14.457 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -25.962 16.833 13.656 1.00 0.00 H new ATOM 1225 N HIS A 79 -18.959 15.023 13.051 1.00 0.00 N ATOM 1226 CA HIS A 79 -17.554 14.687 13.278 1.00 0.00 C ATOM 1227 C HIS A 79 -17.151 14.973 14.718 1.00 0.00 C ATOM 1228 O HIS A 79 -16.054 14.624 15.150 1.00 0.00 O ATOM 1229 CB HIS A 79 -16.616 15.402 12.288 1.00 0.00 C ATOM 1230 CG HIS A 79 -16.874 16.866 12.073 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -16.381 17.546 10.985 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -17.578 17.773 12.789 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -16.767 18.804 11.038 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -17.499 18.973 12.125 1.00 0.00 N ATOM 0 H HIS A 79 -19.188 16.007 13.188 1.00 0.00 H new ATOM 0 HA HIS A 79 -17.449 13.617 13.099 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -15.591 15.282 12.639 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.684 14.897 11.325 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -18.105 17.588 13.713 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -16.526 19.569 10.315 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -17.933 19.847 12.421 1.00 0.00 H new ATOM 1243 N HIS A 80 -18.052 15.610 15.454 1.00 0.00 N ATOM 1244 CA HIS A 80 -17.882 15.826 16.883 1.00 0.00 C ATOM 1245 C HIS A 80 -19.173 16.383 17.452 1.00 0.00 C ATOM 1246 O HIS A 80 -19.263 17.614 17.638 1.00 0.00 O ATOM 1247 CB HIS A 80 -16.722 16.781 17.184 1.00 0.00 C ATOM 1248 CG HIS A 80 -16.341 16.800 18.634 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -15.443 15.910 19.182 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -16.750 17.593 19.655 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -15.319 16.151 20.474 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -16.101 17.166 20.786 1.00 0.00 N ATOM 1253 OXT HIS A 80 -20.114 15.594 17.658 1.00 0.00 O ATOM 0 H HIS A 80 -18.920 15.991 15.077 1.00 0.00 H new ATOM 0 HA HIS A 80 -17.643 14.870 17.349 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.856 16.490 16.590 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.998 17.789 16.873 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.455 18.409 19.590 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.685 15.609 21.159 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.206 17.568 21.717 1.00 0.00 H new TER 1262 HIS A 80